N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide

C14H25N3O3S — CID 106072666

IUPACN-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCCCNC(C)C)cn1
InChIInChI=1S/C14H25N3O3S/c1-4-20-14-8-7-13(11-16-14)17-21(18,19)10-6-5-9-15-12(2)3/h7-8,11-12,15,17H,4-6,9-10H2,1-3H3
InChIKeyTWRKKFUMCJOXHW-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.00
Rot. Bonds10

About N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide

N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide (PubChem CID 106072666) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
PubChem CID106072666
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)CCCCNC(C)C)cn1
InChIInChI=1S/C14H25N3O3S/c1-4-20-14-8-7-13(11-16-14)17-21(18,19)10-6-5-9-15-12(2)3/h7-8,11-12,15,17H,4-6,9-10H2,1-3H3
InChIKeyTWRKKFUMCJOXHW-UHFFFAOYSA-N
XLogP2.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide
CID 106072665
4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
CID 106072696
N-(4-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54973645
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
CID 116815594
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
N-[6-(2-methoxyethoxy)-3-pyridinyl]propane-1-sulfonamide
CID 64591758
4-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106031673
N-(2-methyl-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106070211
N-(1,2-oxazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 62913608
N-(4-fluorophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973547
N-(1,3-benzothiazol-6-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107806374
2-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)ethanesulfonamide
CID 71939376

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide (CID 106072666) is N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide is CCOc1ccc(NS(=O)(=O)CCCCNC(C)C)cn1.
What is the InChIKey of N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
The InChIKey is TWRKKFUMCJOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-4-20-14-8-7-13(11-16-14)17-21(18,19)10-6-5-9-15-12(2)3/h7-8,11-12,15,17H,4-6,9-10H2,1-3H3.
What are the key properties of N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide?
N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide is sourced from PubChem (CID 106072666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).